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BDBM50219028 2-methyl-N-{4-methyl-3-[1-(3-{[(2S)-2-phenylpropanoyl]-amino}propyl)-4-piperidinyl]phenyl}propanamide::CHEMBL242054

SMILES: CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)[C@H](C)c2ccccc2)CC1

InChI Key: InChIKey=NJJVZQKTUZLDJG-JOCHJYFZSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50219028   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GPR24


(RAT)
BDBM50219028
PNG
(2-methyl-N-{4-methyl-3-[1-(3-{[(2S)-2-phenylpropan...)
Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)[C@H](C)c2ccccc2)CC1
Show InChI InChI=1S/C28H39N3O2/c1-20(2)27(32)30-25-12-11-21(3)26(19-25)24-13-17-31(18-14-24)16-8-15-29-28(33)22(4)23-9-6-5-7-10-23/h5-7,9-12,19-20,22,24H,8,13-18H2,1-4H3,(H,29,33)(H,30,32)/t22-/m1/s1
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KEGG

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
37n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair
GPR24


(RAT)
BDBM50219028
PNG
(2-methyl-N-{4-methyl-3-[1-(3-{[(2S)-2-phenylpropan...)
Show SMILES CC(C)C(=O)Nc1ccc(C)c(c1)C1CCN(CCCNC(=O)[C@H](C)c2ccccc2)CC1
Show InChI InChI=1S/C28H39N3O2/c1-20(2)27(32)30-25-12-11-21(3)26(19-25)24-13-17-31(18-14-24)16-8-15-29-28(33)22(4)23-9-6-5-7-10-23/h5-7,9-12,19-20,22,24H,8,13-18H2,1-4H3,(H,29,33)(H,30,32)/t22-/m1/s1
Reactome pathway
KEGG

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat MCHR1 expressed in HEK293 cells assessed as effect on calcium mobilization


J Med Chem 50: 3870-82 (2007)


Article DOI: 10.1021/jm060381c
BindingDB Entry DOI: 10.7270/Q2930SWM
More data for this
Ligand-Target Pair